Structure of PDB 8q0q Chain F Binding Site BS02

Receptor Information
>8q0q Chain F (length=432) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKTSFGSLKDEDRIFTNLYGRHDWRLKGAQSRGDWYKTKEILLKGPDWIL
GEVKTSGLRGRGGAGFPTGLKWSFMNKPSDGRPKYLVVNADEGEPGTCKD
REIIRHDPHKLVEGCLVGGRAMGARAAYIYIRGEFYNEASNLQVAIREAY
EAGLIGKNACGSGYDFDVFVVRGAGAYICGEETALIESIEGKQGKPRLKP
PFPADVGVFGCPTTVANVETVAVSPTICRRGGAWFASFGRERNSGTKLFN
ISGHVNNPCTVEEEMSVPLKELIEKHAGGVTGGWDNLLAVIPGGSSTPLI
PKSVCETVLMDFDALIQAQTGLGTAAVIVMDRSTDIVKAIARLIEFYKHE
SCGQCTPCREGVDWMNKVMARFVRGDARPAEIDSLWEISKQIEGHTICAL
GDGAAWPVQGLIRHFRPELEERMQQFAQQHQA
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain8q0q Chain F Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8q0q Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I
Resolution3.6 Å
Binding residue
(original residue number in PDB)		P203 S358 C359 G360 Q361 C362 C365 T403 I404 C405 L407 G408
Binding residue
(residue number reindexed from 1)		P196 S351 C352 G353 Q354 C355 C358 T396 I397 C398 L400 G401
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.2: NADH:ubiquinone reductase (H(+)-translocating).
Gene Ontology
Molecular Function
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006120 mitochondrial electron transport, NADH to ubiquinone
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0045271 respiratory chain complex I

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8q0q, PDBe:8q0q, PDBj:8q0q
PDBsum8q0q
PubMed38870289
UniProtP25708|NDUV1_BOVIN NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Gene Name=NDUFV1)

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